0 B12R0.5 CCCCCCCCCCCCN S825913 [0,0,0,0,0,0|1,0,0]=1 1 B12R0.5 CCCCCCCCCCCCN S825956 [0,0,0,0,0,0|1,0,0]=1 2 B12R0.5 CCCCCCCCCCCCN S826987 [0,0,0,0,0,0|1,0,0]=1 3 B12R0.5 CCCCCCCCCCSC#N S345245 [0,0,0,0,0,0|2,0,1]=3 4 B12R0.5 CCCCCCCCCCSCC S546925 [0,0,0,0,0,0|2,0,0]=2 5 B12R0.5 CCCCCCCCNCCCN PH000443 [0,0,0,0,0,0|2,0,0]=2 6 B12R0.5 CCCCCCCCSCCC#N S236233 [0,0,0,0,0,0|2,0,1]=3 7 B12R0.5 CCCCCCNCCCCCC S563226 [0,0,0,0,0,0|2,0,0]=2 8 B12R0.5 ICCCCCCCCCCCI S764493 [0,0,0,0,0,0|2,0,0]=2 9 B12R0.5 NCCCCCCCCCCCN CDS000080 [0,0,0,0,0,0|2,0,0]=2 10 B12R0.5 NCCOCCOCCOCCO CDS020855 [0,0,0,0,0,0|4,0,0]=4 11 B11R0.3 CC/C=C/CCCCCCCC PH003558 [1,0,0,0,0,0|0,0,2]=3 12 B11R0.3 CCCCCCCCC#CCBr PH009442 [1,0,0,0,0,0|1,0,2]=4 13 B11R0.3 CCCCCCCCCCC#N R750212 [1,0,0,0,0,0|1,0,1]=3 14 B11R0.3 CCCCCCCCCCSC S540161 [1,0,0,0,0,0|1,0,0]=2 15 B11R0.3 CCCCCCCCCC[Hg]Cl S572586 [1,0,0,0,0,0|2,0,0]=3 16 B11R0.3 CCCCCCCCCSCC S547158 [1,0,0,0,0,0|1,0,0]=2 17 B11R0.3 CCCCCCCCNCCN PH000414 [1,0,0,0,0,0|2,0,0]=3 18 B11R0.3 CCCCCCCCNCCN S235881 [1,0,0,0,0,0|2,0,0]=3 19 B11R0.3 CCCCCCCCNCCS PH012947 [1,0,0,0,0,0|1,1,0]=3 20 B11R0.3 CCCCCSSCCCCC CDS000577 [1,0,0,0,0,0|2,0,0]=3 21 B11R0.3 CCCSCCCCSCCC S347868 [1,0,0,0,0,0|2,0,0]=3 22 B11R0.3 COCCCCCCCCOC S344400 [1,0,0,0,0,0|2,0,0]=3 23 B13R0.2 CCCCCCCCCC(=O)CCC CDS000692 [0,1,0,0,0,0|1,0,1]=3 24 B13R0.54 CCCCCCCCCCOC(=O)C S359947 [0,1,0,0,0,0|1,0,2]=4 25 B13R0.54 CCCCCCCCCNCC(=O)O PH014167 [0,1,0,0,0,0|1,0,1]=3 26 B13R0.54 CCCCCCCCOCCC(=O)O S530719 [0,1,0,0,0,0|1,0,1]=3 27 B13R0.54 CCCCCCCCSCCC(=O)O S233579 [0,1,0,0,0,0|1,0,1]=3 28 B13R0.54 CCCCSCCCCCCC(=O)O R397334 [0,1,0,0,0,0|1,0,1]=3 29 B13R0.147 CCCCCCCCCCC([NH3+])CO L498645 [0,1,0,0,0,0|0,0,0]=1 30 B13R0.147 CCCCCCCCCOC(=O)CS S593966 [0,1,0,0,0,0|1,1,1]=4 31 B13R0.165 CCCCCCC(C)CCCCCC PH007361 [0,1,0,0,0,0|1,0,0]=2 32 B13R0.165 CCCCCCC(O)CCCCCC S544213 [0,1,0,0,0,0|1,0,0]=2 33 B13R0.165 CCCCCCN(N)CCCCCC PH007222 [0,1,0,0,0,0|2,0,0]=3 34 B13R0.165 CCCCCC[Sn](=O)CCCCCC S395749 [0,1,0,0,0,0|2,0,0]=3 35 B13R0.165 CCOCCCC(Br)CCCOCC S809624 [0,1,0,0,0,0|3,0,0]=4 36 B13R0.336 CCCCCCCCCCCCC#N S450065 [0,1,0,0,0,0|1,0,0]=2 37 B13R0.336 CCCCCCCCCCNCCN PH000736 [0,1,0,0,0,0|1,0,0]=2 38 B13R0.336 CCCCCCCCCCOCC#N S240419 [0,1,0,0,0,0|1,0,1]=3 39 B13R0.336 CCCCCCSSCCCCCC S570745 [0,1,0,0,0,0|2,0,0]=3 40 B13R0.336 CCCNCCCCCCNCCC S393959 [0,1,0,0,0,0|2,0,0]=3 41 B13R0.336 OC/C=C/CCCCCCCCCBr S881554 [0,1,0,0,0,0|0,0,2]=3 42 B13R0.336 OCCCCCCCCCCCCCl PH008321 [0,1,0,0,0,0|0,0,0]=1 43 B13R0.338 CCCCCCCC(=O)OCCCC CDS000585 [0,1,0,0,0,0|2,0,1]=4 44 B13R0.338 CCCCCOCC(O)CNCCN PH006966 [0,1,0,0,0,0|3,0,0]=4 45 B13R1.28 C#CCCCCOC1CCCCO1 T166588 [0,0,0,1,0,0|1,0,2]=4 46 B13R1.28 CCCCCCCC1=NCCCS1 PH000574 [0,0,0,1,0,0|1,1,1]=4 47 B13R1.28 CCCCCCCC1CCCCC1 S412422 [0,0,0,1,0,0|1,0,0]=2 48 B13R1.28 CCCCCCOC1CCCCO1 S35220 [0,0,0,1,0,0|1,0,0]=2 49 B13R1.28 NCCCCCCN1CCCCC1 OTV000943 [0,0,0,1,0,0|2,0,0]=3 50 B13R1.119 CCCCCCCCC1OCCO1 T172561 [0,0,0,1,0,0|1,0,0]=2 51 B13R1.279 OC1C=CCCCCCCCCC1 T203130 [0,0,0,1,0,0|0,0,2]=3 52 B13R1.603 CCC1CCCCCCCCC1=O T168572 [0,0,0,1,0,0|0,0,2]=3 53 B13R1.654 CCCCCCCC1CCCC1=O S362212 [0,0,0,1,0,0|0,0,2]=3 54 B13R1.1150 N#CCCNC1CCCCCCC1 PH015310 [0,0,0,1,0,0|2,0,1]=4 55 B13R1.1887 CCNCCCN1CCCCCC1 CDS021107 [0,0,0,1,0,0|3,0,0]=4 56 B13R1.1887 NCCCCCN1CCCCCC1 OTV000942 [0,0,0,1,0,0|2,0,0]=3 57 B13R1.2883 N1CCCCCCCCCCCC1 S457582 [0,0,0,1,0,0|1,0,0]=2 58 B10R0.71 C#CCCCCCCCCC CDS001229 [2,0,0,0,0,0|0,0,2]=4 59 B10R0.71 CCCCCCCCCCF S570354 [2,0,0,0,0,0|1,0,0]=3 60 B10R0.71 CCCCCCCCSCC S570656 [2,0,0,0,0,0|1,0,0]=3 61 B10R0.71 CCCCCCCSCCO S362220 [2,0,0,0,0,0|1,0,0]=3 62 B10R0.71 CCCCCCNCCCC OTV000454 [2,0,0,0,0,0|1,0,0]=3 63 B10R0.71 CCCCCCOCCCN S392022 [2,0,0,0,0,0|2,0,0]=4 64 B10R0.71 CCCCCNCCCCC S503770 [2,0,0,0,0,0|1,0,0]=3 65 B10R0.71 COCCCCCCCCN PH012543 [2,0,0,0,0,0|2,0,0]=4 66 B10R0.71 ICCCCCCCCCI S764507 [2,0,0,0,0,0|2,0,0]=4 67 B10R0.71 [NH2+](CCCCl)CCCCCC R738158 [2,0,0,0,0,0|2,0,0]=4 68 B12R0.206 CCCCCCCC(C)NCCO S540285 [1,1,0,0,0,0|1,0,0]=3 69 B12R0.234 CCCCCCCCCCC(=N)N PH012196 [1,1,0,0,0,0|1,0,1]=4 70 B12R0.234 CCCCCCCCCOC(=O)C S364258 [1,1,0,0,0,0|1,0,1]=4 71 B12R0.234 CCCCCCCCOCC(=O)O PH010016 [1,1,0,0,0,0|1,0,1]=4 72 B12R0.248 CCCCCCCCCC(=O)CC CDS000235 [1,1,0,0,0,0|0,0,1]=3 73 B12R0.248 CCCCCCCCCC([NH3+])CO L498637 [1,1,0,0,0,0|0,0,0]=2 74 B12R0.248 OCCCCCCCCC(O)CO CDS000271 [1,1,0,0,0,0|1,0,0]=3 75 B14R0.493 CCCCCCCCCC(=O)NCCO R594741 [0,2,0,0,0,0|0,0,1]=3 76 B14R0.305 O=C(O)CCCCCCCCC(O)CO S489425 [0,2,0,0,0,0|1,0,1]=4 77 B14R0.337 CCCCCCCCCCCC(=O)CC S543985 [0,2,0,0,0,0|1,0,0]=3 78 B14R0.337 CCCCCCCCCCCC([NH3+])CO L498653 [0,2,0,0,0,0|0,0,0]=2 79 B14R0.337 CCCCCCCCCCOC(=O)CCl S381594 [0,2,0,0,0,0|1,0,1]=4 80 B14R0.340 CCCCCCCCCCC(N)C(=O)O PH003648 [0,2,0,0,0,0|0,0,1]=3 81 B14R0.340 CCCCCCCCCCC(O)C(=O)O S742805 [0,2,0,0,0,0|0,0,1]=3 82 B14R0.344 CCCCCCCCC(C)CCC(=O)O S874531 [0,2,0,0,0,0|0,0,1]=3 83 B14R0.344 CCCCCCCCS(=O)CCC(=O)O R395420 [0,2,0,0,0,0|1,0,1]=4 84 B14R0.394 CC(=O)NCCCCCCCCCCN S236241 [0,2,0,0,0,0|1,0,1]=4 85 B14R0.394 CCCCCCCCCCCCC(=N)N PH011812 [0,2,0,0,0,0|1,0,0]=3 86 B14R0.394 CCCCCCCCCCCCC(=O)N S563005 [0,2,0,0,0,0|0,0,1]=3 87 B14R0.394 CCCCCCCCCCCSC(=N)N PH011950 [0,2,0,0,0,0|1,0,1]=4 88 B14R0.394 N#CCCCCCCCCCCC(=O)O R277878 [0,2,0,0,0,0|0,0,2]=4 89 B14R0.953 CC=C(CCCCCC)CCCCCC PH001127 [0,2,0,0,0,0|1,0,1]=4 90 B14R0.392 CCCCCCCCCCCC#CCBr PH006612 [0,2,0,0,0,0|1,0,0]=3 91 B14R0.392 CCCCCCCCCCCCCC#N S566004 [0,2,0,0,0,0|1,0,0]=3 92 B14R0.392 CCCCCCCCCCCCSC#N S517496 [0,2,0,0,0,0|0,1,0]=3 93 B14R0.392 CCCCCCCCCCCOCCO CDS018221 [0,2,0,0,0,0|0,0,0]=2 94 B14R0.392 CCCCCCCCCCOCCC#N PH003688 [0,2,0,0,0,0|1,0,0]=3 95 B14R0.392 CCCCCCCOCCCCCCC S565717 [0,2,0,0,0,0|1,0,0]=3 96 B14R0.392 CCCCCCCSCCCCCCC S413135 [0,2,0,0,0,0|1,0,0]=3 97 B14R0.392 CCOCCCCCCCCCOCC S842664 [0,2,0,0,0,0|1,0,0]=3 98 B14R0.86 CCCCCCCC(CO)CCCCC S572888 [0,2,0,0,0,0|1,0,0]=3 99 B12R1.8 CCCCCCC1CCCCC1 S415766 [1,0,0,1,0,0|0,0,0]=2 100 B12R1.8 CCCCCCC1CCNCC1 PH013358 [1,0,0,1,0,0|1,0,0]=3 101 B12R1.8 CCCCSCN1CCCCC1 S506508 [1,0,0,1,0,0|2,0,0]=4 102 B12R1.8 ClCCCCOC1CCCCO1 PH000153 [1,0,0,1,0,0|2,0,0]=4 103 B12R1.8 NCCCCCN1CCCCC1 OTV000941 [1,0,0,1,0,0|2,0,0]=4 104 B12R1.8 OCCCCOC1CCCCO1 T244813 [1,0,0,1,0,0|2,0,0]=4 105 B12R1.121 CCC1CCCCN1CCCN PH015340 [1,0,0,1,0,0|2,0,0]=4 106 B12R1.150 O=C1CCCCCCCCC1O S116742 [1,0,0,1,0,0|1,0,1]=4 107 B12R1.169 CCCC1CCCCC1OCC T183857 [1,0,0,1,0,0|1,0,0]=3 108 B12R1.267 COCCN[C@@H]1CCCC[C@H]1O PH016400 [1,0,0,1,0,0|2,0,0]=4 109 B12R1.267 COCCN[C@@H]1CCCC[C@H]1O PH016529 [1,0,0,1,0,0|2,0,0]=4 110 B12R1.329 SCCNC1CCCCCCC1 PH012912 [1,0,0,1,0,0|1,1,0]=4 111 B12R1.410 CCC1CCCCCCCCC1 T168122 [1,0,0,1,0,0|0,0,0]=2 112 B12R1.550 C1CCCCCCCCCCC1 S436402 [1,0,0,1,0,0|0,0,0]=2 113 B12R1.1414 CNCCCN1CCCCCC1 PH014363 [1,0,0,1,0,0|2,0,0]=4 114 B12R1.1414 NCCCCN1CCCCCC1 CBR02326 [1,0,0,1,0,0|2,0,0]=4 115 B14R1.40 CCCCCCCCCC1=NCCS1 PH008238 [0,1,0,1,0,0|0,1,1]=4 116 B14R1.96 COC1CCCCC1CCCC(=O)O PH007942 [0,1,0,1,0,0|1,0,1]=4 117 B14R1.422 NC(=O)CCCCCC1CCCCC1 L159425 [0,1,0,1,0,0|0,0,2]=4 118 B14R1.422 O=C(O)CCCCCC1CCCCC1 PH003785 [0,1,0,1,0,0|0,0,1]=3 119 B14R1.6414 O=C(O)C1CCCCCCCCCC1 S435244 [0,1,0,1,0,0|0,0,1]=3 120 B14R1.123 C#CCCCCCOC1CCCCO1 T282774 [0,1,0,1,0,0|0,0,2]=4 121 B14R1.123 CCCCCCCCC1=NCCCS1 PH008222 [0,1,0,1,0,0|0,1,1]=4 122 B14R1.247 O=C1CCCCCCCCCCC1Br S371076 [0,1,0,1,0,0|0,0,2]=4 123 B14R1.247 O=C1CCCCCCCCCCC1O S565679 [0,1,0,1,0,0|0,0,1]=3 124 B14R1.247 OC1CCCCCCCCCCC1Cl S307475 [0,1,0,1,0,0|0,0,0]=2 125 B14R1.247 OC1CCCCCCCCCCC1O S427101 [0,1,0,1,0,0|0,0,0]=2 126 B14R1.845 CNC1CCCCCCCCCCC1 S428485 [0,1,0,1,0,0|1,0,0]=3 127 B14R1.845 OCC1CCCCCCCCCCC1 R278785 [0,1,0,1,0,0|0,0,0]=2 128 B14R1.845 ON=C1CCCCCCCCCCC1 S931969 [0,1,0,1,0,0|0,0,1]=3 129 B14R1.20339 CC1CCCC(N1CCCCCN)C PH015306 [0,1,0,1,0,0|2,0,0]=4 130 B14R2.6 C1CCC(CC1)CC2CCNCC2 PH007409 [0,0,0,2,0,0|2,0,0]=4 131 B14R2.6 C1CCC(CC1)NC2CCCCC2 PH014014 [0,0,0,2,0,0|2,0,0]=4 132 B14R2.6 C1CCC(CC1)NC2CCCCC2 R647276 [0,0,0,2,0,0|2,0,0]=4 133 B14R2.6 C1CCC(CC1)NC2CCCCC2 S859729 [0,0,0,2,0,0|2,0,0]=4 134 B14R2.6 N1CCCCC1CN2CCCCC2 S354902 [0,0,0,2,0,0|2,0,0]=4 135 B14R2.24 CN1CCCCC1C2CCCCN2 PH015064 [0,0,0,2,0,0|2,0,0]=4 136 B14R2.24 NC1CCCCC1C2CCCCC2 CDS013757 [0,0,0,2,0,0|1,0,0]=3 137 B14R2.24 O=C1CCCCC1C2CCCCC2 CDS000224 [0,0,0,2,0,0|0,0,2]=4 138 B14R2.24 OC1CCCCC1C2CCCCC2 PH011434 [0,0,0,2,0,0|0,0,0]=2 139 B14R2.24 OC1CCCCC1N2CCCCC2 PH004010 [0,0,0,2,0,0|1,0,0]=3 140 B14R2.24 [C@@H]1(CCCC[C@@H]1N2CCCCC2)O VBP00258 [0,0,0,2,0,0|1,0,0]=3 141 B14R2.101 C1CCC(OC1)OCC2CCCO2 PH000040 [0,0,0,2,0,0|2,0,0]=4 142 B14R2.381 O=C1CCCCCC12CCCCC2 T164453 [0,0,0,2,0,0|0,0,2]=4 143 B14R2.7150 [C@H]12CCCCN1CCC[C@H]2CCN PH015179 [0,0,0,2,0,0|2,0,0]=4 144 B14R2.396 O=C1CCCCCCC12CCCC2 T164437 [0,0,0,2,0,0|0,0,2]=4 145 B14R2.991 CCCC[C@H]1CN2CCC[C@@H]2CN1 PH015180 [0,0,0,2,0,0|2,0,0]=4 146 B14R2.4911 OC12CCCCCCCCC1CC2 PH009459 [0,0,0,2,0,0|0,0,0]=2 147 B14R2.4612 O=C1CCCCC12CCCCCC2 T164380 [0,0,0,2,0,0|0,0,2]=4